3-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-1,2,4-triazin-5-ol

C10H8FN5O — CID 135454364

IUPAC3-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESC1=CC(=CC=C1/C=N/NC2=NN=CC(=O)N2)F
InChIInChI=1S/C10H8FN5O/c11-8-3-1-7(2-4-8)5-12-15-10-14-9(17)6-13-16-10/h1-6H,(H2,14,15,16,17)/b12-5+
InChIKeyIWXVAICVSXYJKA-LFYBBSHMSA-N
MW233.20 g/mol
LogP0.90
Rot. Bonds3

About 3-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-1,2,4-triazin-5-ol

3-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-1,2,4-triazin-5-ol (PubChem CID 135454364) has the molecular formula C10H8FN5O and a molecular weight of 233.20 g/mol. Its IUPAC name is 3-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-1,2,4-triazin-5-ol
PubChem CID135454364
Molecular FormulaC10H8FN5O
Molecular Weight233.20 g/mol
Exact Mass233.07
IUPAC Name3-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESC1=CC(=CC=C1/C=N/NC2=NN=CC(=O)N2)F
InChIInChI=1S/C10H8FN5O/c11-8-3-1-7(2-4-8)5-12-15-10-14-9(17)6-13-16-10/h1-6H,(H2,14,15,16,17)/b12-5+
InChIKeyIWXVAICVSXYJKA-LFYBBSHMSA-N
XLogP0.90
TPSA78.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity371

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-1,2,4-triazin-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzaldehyde (2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)hydrazone
CID 9609673
(1E,2E)-2-methyl-3-phenylacrylaldehyde (4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone
CID 135433183
2-Methyl-3-phenylacrylaldehyde (6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)hydrazone
CID 135446632
4-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,5-dihydropyrazolo[3,4-d]pyrimidin-6-one
CID 135471527
N-[(E)-benzylideneamino]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide
CID 6863889
4-[(2E)-2-benzylidenehydrazinyl]pyrimidin-2(1H)-one
CID 9701750
2-(N'-(4-Fluoro-benzylidene)-hydrazino)-6-methyl-pyrimidin-4-OL
CID 135454399
4-(p-Fluorobenzylideneamino)-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 9556362
3-((E)-2-((E)-2-methyl-3-phenylallylidene)hydrazinyl)-1,2,4-triazin-5(4H)-one
CID 135454473
2-[(2E)-2-benzylidenehydrazinyl]-6-methylpyrimidin-4(3H)-one
CID 135460312
(e)-4-[(3-Fluorobenzylidene)amino]-5-methyl-2,4-dihydro-3h-1,2,4-triazol-3-one
CID 177255973
(e)-4-[(2-Fluorobenzylidene)amino]-5-methyl-2,4-dihydro-3h-1,2,4-triazol-3-one
CID 177255976

Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-1,2,4-triazin-5-ol?
The IUPAC name of 3-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-1,2,4-triazin-5-ol (CID 135454364) is 3-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-1,2,4-triazin-5-ol?
The canonical SMILES for 3-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-1,2,4-triazin-5-ol is C1=CC(=CC=C1/C=N/NC2=NN=CC(=O)N2)F.
What is the InChIKey of 3-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-1,2,4-triazin-5-ol?
The InChIKey is IWXVAICVSXYJKA-LFYBBSHMSA-N. The full InChI is InChI=1S/C10H8FN5O/c11-8-3-1-7(2-4-8)5-12-15-10-14-9(17)6-13-16-10/h1-6H,(H2,14,15,16,17)/b12-5+.
What are the key properties of 3-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-1,2,4-triazin-5-ol?
3-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-1,2,4-triazin-5-ol has a molecular weight of 233.20 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-1,2,4-triazin-5-ol is sourced from PubChem (CID 135454364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).